(R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 2,2,2-trifluoroacetate CAS 1246610-76-3
| CAS No. | 1246610-76-3 |
| Molecular Formula | C18H21N5O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies (R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 2,2,2-trifluoroacetate (CAS 1246610-76-3), a certified reference material (molecular formula C18H21N5O2C2HF3O2, MW 453.42 g/mol) for analytical method development and quality control.
Based on its molecular formula C18H21N5O2C2HF3O2, (R)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 2,2,2-trifluoroacetate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 453.42 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C18H21N5O2 C2HF3O2 |
| Molecular Weight | 453.42 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related R Standards
- (4-Aminopiperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanone (CAS 1000931-36-1)
- (5R)-5-Aminopiperidin-2-one (CAS 1002566-99-5)
- (5S)-5-Aminopiperidin-2-one dihydrochloride (CAS 1003021-05-3)
- 1-(4-Aminopiperidin-1-yl)-2-(3-methoxyphenyl)ethan-1-one (CAS 1016504-73-6)
- 2-(4-aminopiperidin-1-yl)-N-propylacetamide (CAS 1016510-04-5)
- 1-(4-aminopiperidin-1-yl)-2-ethylbutan-1-one (CAS 1016511-94-6)
- 2-(3-Aminopiperidin-1-yl)acetamide (CAS 1016531-29-5)
- 1-(4-Aminopiperidin-1-yl)-3-cyclohexylpropan-1-one (CAS 1016534-65-8)
Recommended Standards
- (9H-fluoren-9-yl)methyl (R)-(2-benzyl-3-hydroxypropyl)carbamate (CAS 1265892-46-3)
- 6-Chlorohex-1-en-3-one (CAS 76328-94-4)
- (3-Bromo-4-(1H-pyrazol-1-yl)phenyl)boronic acid (CAS 2225177-78-4)
- Pregabalin Impurity 145 (CAS CATO-C4X-1312145)
- N-(3-bromo-4-methylphenyl)tetrahydrothiophen-3-amine (CAS 1341906-38-4)
- Methyl 2-(3-isopropyl-5-mercapto-4h-1,2,4-triazol-4-yl)acetate (CAS 1038325-53-9)
- 6-Bromo-2-(4-(diethylamino)phenyl)-1-ethylbenzo[cd]indol-1-ium methyl sulfate (CAS 83968-79-0)
- 3-(2,5,6-Trimethyl-thieno[2,3-d]pyrimidin-4-ylamino)-propionic acid (CAS 876900-00-4)
- Secalciferol Related Compound 2 (CAS 100858-27-3)
- [Ser39-OH] Tirzepatide (CAS CATO-C4X-324041)
Why CATO?
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